SCHEMBL7762869

SCHEMBL7762869

Cc1cc2c(cc1C1(c3ccccc3C=CC(=O)N3CCOCC3)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
HPGD P15428 5/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
ITGAL P20701 3/20 0.43
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
RXRA P19793 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
APP P05067 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7756693 0.86 KDM4E (0.50) KDM4EHPGDRAB9ANPC1ITGAL
SCHEMBL7759767 0.82 ALDH1A1 (0.51) KDM4EHPGDRAB9ANPC1ITGAL
SCHEMBL7761270 0.82 RXRA (0.52) RXRA
SCHEMBL7761215 0.82 RXRA (0.52) RXRA
SCHEMBL7761548 0.81 RXRA (0.48) RXRAMEN1KMT2A
SCHEMBL7756697 0.77 MAPT (0.43) HPGDRAB9ANPC1RXRAALDH1A1
SCHEMBL7756591 0.76 RXRA (0.44) HPGDRAB9ANPC1RXRAALDH1A1
SCHEMBL7761278 0.76 RXRA (0.44) HPGDRAB9ANPC1RXRAALDH1A1
SCHEMBL7761497 0.74 MAOA (0.48) KDM4ERAB9ANPC1RXRAMEN1
SCHEMBL7761494 0.74 MAOA (0.48) KDM4ERAB9ANPC1RXRAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258775-B1 3-(3-(5,5,8,8-TETRAMATHYL-5,6,7,8-TETRAHYDRO-2-NAPHTYLCARBONYL )PHENYL)ACRYLIC ACID FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-07-10 US claimed
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP claimed
US-6258775-B1 3-(3-(5,5,8,8-TETRAMATHYL-5,6,7,8-TETRAHYDRO-2-NAPHTYLCARBONYL )PHENYL)ACRYLIC ACID FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-07-10 US disclosed
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP disclosed